ABINIT Discussion Forums

Dear all,
I want to calculate the U using cRPA, but I get this error
--- !ERROR
src_file: m_matrix.F90
src_line: 137
mpi_rank: 0
message: |
- Eigenvalues from zheev are negative or zero ! -
...

could anyone help me?
Thanks in advance,
Fatima Zahra

Hello
I want to calculate the U and J values for semi-fluorinated graphene, can we calculate U and J values using Cococcioni's approach and cRPA in the case of p orbital?
Best regards
Fatima Zahra

Dear Eric,
Thank you very much,
Best regards
Fatima Zahra

Hello
I am new user of Abinit , my question is about cRPA, I want to know how can i find out the value of non local Coulomb interaction (intrasite coulomb ) using cRAP?
Thanks in advance
Fatima Zahra